HMDB0240662
     RDKit          3D
3-Methylcatechol 1-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.0117    0.0788    0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6885   -0.3697   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5066   -1.6862   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -2.0623   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -1.1448   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992    0.1520   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058    1.0948   -0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    1.3537    0.7361 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.0203    2.8152    0.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    1.0259    2.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0774    0.4792    0.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    0.5236   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573    1.8140    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    0.7154    1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4992    0.6366   -0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6697   -0.8096    0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488   -2.3675   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1124   -3.0909   -1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7510   -1.4711   -1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1727   -0.2207    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763    2.5336    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
  6 12  2  0
 12 13  1  0
 12  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
 11 20  1  0
 13 21  1  0
M  END